N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide

C27H31N3O4 — CID 4042183

IUPACN-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H31N3O4/c1-33-17-13-28-26(31)23-19-22(29-27(32)25-8-5-16-34-25)9-10-24(23)30-14-11-21(12-15-30)18-20-6-3-2-4-7-20/h2-10,16,19,21H,11-15,17-18H2,1H3,(H,28,31)(H,29,32)
InChIKeyGDHDPTBSZHPAJS-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.37
Rot. Bonds9

About N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide

N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 4042183) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID4042183
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC NameN-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H31N3O4/c1-33-17-13-28-26(31)23-19-22(29-27(32)25-8-5-16-34-25)9-10-24(23)30-14-11-21(12-15-30)18-20-6-3-2-4-7-20/h2-10,16,19,21H,11-15,17-18H2,1H3,(H,28,31)(H,29,32)
InChIKeyGDHDPTBSZHPAJS-UHFFFAOYSA-N
XLogP4.37
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 42757286
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3893161
2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)benzamide
CID 4691013
N-[4-(4-benzylpiperidin-1-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 42762477
N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 4304484
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
CID 42757285
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
CID 4261431
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide
CID 42755875
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
CID 3313553
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
CID 3341979

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide (CID 4042183) is N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide is COCCNC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is GDHDPTBSZHPAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-33-17-13-28-26(31)23-19-22(29-27(32)25-8-5-16-34-25)9-10-24(23)30-14-11-21(12-15-30)18-20-6-3-2-4-7-20/h2-10,16,19,21H,11-15,17-18H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide?
N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 4042183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).